5-Phenyldipyrromethane - ≥96% , CAS No.107798-98-1

CAS: 107798-98-1 Cat. No.: P355183 Formula: C₁₅H₁₄N₂ Molecular Weight: 222.29 PubChem CID: 4327513

GRADE & PURITY ≥96%

Synonyms

2,2'-(phenylmethylene)bis(1h-pyrrole) | 5-PHENYLDIPYRROMETHANE | 10.14272/ODOQKWUKLACHRO-UHFFFAOYSA-N.1 | J-002013 | SB63024 | 2-[phenyl-(1H-pyrrol-2-yl)-methyl]-1H-pyrrole | 2-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole | MFCD01815137 | N10036 | doi:10.142

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

5-Phenyldipyrromethane is a useful building block for creating porphyrin compounds.

Specifications

Synonyms

2,2'-(phenylmethylene)bis(1h-pyrrole) | 5-PHENYLDIPYRROMETHANE | 10.14272/ODOQKWUKLACHRO-UHFFFAOYSA-N.1 | J-002013 | SB63024 | 2-[phenyl-(1H-pyrrol-2-yl)-methyl]-1H-pyrrole | 2-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole | MFCD01815137 | N10036 | doi:10.142

Specifications & Purity

≥96%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504762962
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762962
• Canonical Smiles: C1=CC=C(C=C1)C(C2=CC=CN2)C3=CC=CN3
• IUPAC Name: 2-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole
• InChIKey: ODOQKWUKLACHRO-UHFFFAOYSA-N
• INCHI: 1S/C15H14N2/c1-2-6-12(7-3-1)15(13-8-4-10-16-13)14-9-5-11-17-14/h1-11,15-17H
• Isomeric SMILES: C1=CC=C(C=C1)C(C2=CC=CN2)C3=CC=CN3
• PubChem CID: 4327513
• Molecular Weight: 222.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Substituted pyrroles
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Trypanosoma brucei brucei (13300 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Leishmania donovani (89745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• x_refractive_index: n20D1.65 (Predicted)
• x_boil_point_char: 414.92° C at 760 mmHg (Predicted)
• x_melt_point_char: 123.57° C (Predicted)
• Molecular Weight: 222.280 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 222.116 Da
• Monoisotopic Mass: 222.116 Da
• Topological Polar Surface Area: 31.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 219.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 107798-98-1, the molecular formula is C15H14N2, and the molecular weight is 222.29 g/mol. InChIKey ODOQKWUKLACHRO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.